REMARK  Name = BDB021284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.516  -2.426   1.996  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.509  -1.571   1.585  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.927  -0.745   0.736  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.587  -1.045   0.580  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.269  -0.315  -0.270  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.208   0.705  -0.929  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.542   1.019  -0.777  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.436   0.359  -0.010  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        0.317  -2.120   1.395  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.838   0.830   0.045  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        4.520   0.921   1.257  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1        5.801   1.349   1.391  0.00  0.00    -0.250 NA
ATOM     13  C   LIG    1        6.480   1.688   0.260  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1        5.882   1.611  -0.999  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        4.558   1.178  -1.103  0.00  0.00    +0.012 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.921   2.174   0.358  0.00  0.00    +0.434 C 
ATOM     17  F   LIG    1        8.764   1.473  -0.457  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1        8.053   3.479  -0.025  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        8.463   2.096   1.606  0.00  0.00    -0.164 F 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  N   LIG    1        1.928  -4.335   3.701  0.00  0.00    -0.189 NA
ATOM     21  C   LIG    1        1.767  -3.474   2.939  0.00  0.00    +0.121 C 
ENDBRANCH   1  21
BRANCH   5  22
ATOM     22  N   LIG    1       -1.588  -0.701  -0.370  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -1.808  -1.665  -0.148  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.454  -0.146  -1.396  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.873  -0.550  -1.121  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.615   0.002  -0.080  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.223   0.994   0.951  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.604   1.315   1.522  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.497   0.211   1.244  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.915  -0.415   0.173  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.536  -1.390  -0.580  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.816  -1.954  -1.633  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.504  -1.535  -1.892  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -3.836  -2.116  -2.899  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 6